USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 161:sc= -0.721! (180deg=-2.18!) USER MOD Single : A 4 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 5 ASN :FLIP amide:sc= -0.971! C(o=-4.1!,f=-0.97!) USER MOD Single : A 6 HIS : no HD1:sc= -12.5! C(o=-12!,f=-18!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.632) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.43 F(o=-2!,f=-1.4) USER MOD Single : A 21 SER OG : rot 173:sc= -0.832 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.95 F(o=-4!,f=-2) USER MOD Single : A 28 THR OG1 : rot 45:sc= 0.0571 USER MOD Single : A 31 ASN : amide:sc= -2.89! C(o=-2.9!,f=-9.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.035) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 110:sc= 0.835 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.178 (180deg=-0.723) USER MOD Single : A 58 ASN : amide:sc= -11.7! C(o=-12!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.056 12.496 3.388 1.00 0.00 N ATOM 2 CA ARG A 1 2.267 13.415 2.519 1.00 0.00 C ATOM 3 C ARG A 1 0.929 12.745 2.152 1.00 0.00 C ATOM 4 O ARG A 1 0.075 12.578 3.001 1.00 0.00 O ATOM 5 CB ARG A 1 3.074 13.765 1.258 1.00 0.00 C ATOM 6 CG ARG A 1 4.060 12.636 0.928 1.00 0.00 C ATOM 7 CD ARG A 1 3.913 12.222 -0.536 1.00 0.00 C ATOM 8 NE ARG A 1 4.428 10.845 -0.703 1.00 0.00 N ATOM 9 CZ ARG A 1 3.793 9.846 -0.167 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.729 10.055 0.563 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.213 8.636 -0.359 1.00 0.00 N ATOM 0 H1 ARG A 1 4.056 12.781 3.376 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.694 12.543 4.362 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.969 11.522 3.033 1.00 0.00 H new ATOM 0 HA ARG A 1 2.058 14.342 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.398 13.924 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.617 14.698 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.081 12.966 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.875 11.780 1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.867 12.271 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.463 12.910 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 1 5.280 10.680 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.393 11.006 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.235 9.267 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.041 8.468 -0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.716 7.851 0.061 1.00 0.00 H new ATOM 27 N ILE A 2 0.713 12.360 0.912 1.00 0.00 N ATOM 28 CA ILE A 2 -0.597 11.717 0.572 1.00 0.00 C ATOM 29 C ILE A 2 -0.415 10.492 -0.305 1.00 0.00 C ATOM 30 O ILE A 2 0.172 10.557 -1.367 1.00 0.00 O ATOM 31 CB ILE A 2 -1.477 12.689 -0.201 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.694 13.928 0.649 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.822 12.019 -0.505 1.00 0.00 C ATOM 34 CD1 ILE A 2 -0.923 15.106 0.052 1.00 0.00 C ATOM 0 H ILE A 2 1.371 12.461 0.139 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.055 11.430 1.518 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.000 12.969 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.757 14.165 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.360 13.743 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.456 12.711 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.655 11.123 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.312 11.746 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.082 15.993 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.141 14.869 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.278 15.297 -0.961 1.00 0.00 H new ATOM 46 N CYS A 3 -0.959 9.382 0.101 1.00 0.00 N ATOM 47 CA CYS A 3 -0.859 8.183 -0.751 1.00 0.00 C ATOM 48 C CYS A 3 -2.235 7.511 -0.842 1.00 0.00 C ATOM 49 O CYS A 3 -3.204 8.001 -0.296 1.00 0.00 O ATOM 50 CB CYS A 3 0.180 7.218 -0.192 1.00 0.00 C ATOM 51 SG CYS A 3 0.796 6.189 -1.541 1.00 0.00 S ATOM 0 H CYS A 3 -1.463 9.259 0.979 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.539 8.474 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.000 7.770 0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.262 6.596 0.587 1.00 0.00 H new ATOM 56 N TYR A 4 -2.347 6.414 -1.553 1.00 0.00 N ATOM 57 CA TYR A 4 -3.676 5.761 -1.693 1.00 0.00 C ATOM 58 C TYR A 4 -3.897 4.701 -0.613 1.00 0.00 C ATOM 59 O TYR A 4 -2.986 4.009 -0.207 1.00 0.00 O ATOM 60 CB TYR A 4 -3.772 5.078 -3.057 1.00 0.00 C ATOM 61 CG TYR A 4 -4.286 6.056 -4.081 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.559 7.214 -4.354 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.482 5.800 -4.763 1.00 0.00 C ATOM 64 CE1 TYR A 4 -4.023 8.124 -5.307 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.949 6.710 -5.717 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.218 7.873 -5.991 1.00 0.00 C ATOM 67 OH TYR A 4 -5.679 8.773 -6.930 1.00 0.00 O ATOM 0 H TYR A 4 -1.579 5.950 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.435 6.536 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.793 4.704 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.437 4.217 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.636 7.408 -3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.043 4.901 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.460 9.021 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.873 6.516 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.520 8.446 -7.311 1.00 0.00 H new ATOM 77 N ASN A 5 -5.122 4.553 -0.179 1.00 0.00 N ATOM 78 CA ASN A 5 -5.455 3.516 0.841 1.00 0.00 C ATOM 79 C ASN A 5 -6.369 2.474 0.179 1.00 0.00 C ATOM 80 O ASN A 5 -7.182 1.838 0.819 1.00 0.00 O ATOM 81 CB ASN A 5 -6.180 4.172 2.023 1.00 0.00 C ATOM 82 CG ASN A 5 -6.713 3.098 2.975 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.148 1.922 2.995 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.653 3.332 3.707 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.914 5.114 -0.492 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.547 3.039 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.498 4.835 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.003 4.787 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.095 4.251 3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.001 2.609 4.337 1.00 0.00 H new ATOM 91 N HIS A 6 -6.255 2.314 -1.112 1.00 0.00 N ATOM 92 CA HIS A 6 -7.129 1.338 -1.823 1.00 0.00 C ATOM 93 C HIS A 6 -6.658 -0.094 -1.555 1.00 0.00 C ATOM 94 O HIS A 6 -5.483 -0.400 -1.591 1.00 0.00 O ATOM 95 CB HIS A 6 -7.113 1.648 -3.330 1.00 0.00 C ATOM 96 CG HIS A 6 -7.223 0.387 -4.150 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.480 0.187 -5.302 1.00 0.00 N ATOM 98 CD2 HIS A 6 -7.987 -0.744 -3.996 1.00 0.00 C ATOM 99 CE1 HIS A 6 -6.810 -1.021 -5.794 1.00 0.00 C ATOM 100 NE2 HIS A 6 -7.726 -1.631 -5.035 1.00 0.00 N ATOM 0 H HIS A 6 -5.594 2.817 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.150 1.427 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.938 2.317 -3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.192 2.172 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.685 -0.918 -3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.387 -1.446 -6.692 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.144 -2.549 -5.185 1.00 0.00 H new ATOM 108 N LEU A 7 -7.590 -0.964 -1.293 1.00 0.00 N ATOM 109 CA LEU A 7 -7.249 -2.393 -1.024 1.00 0.00 C ATOM 110 C LEU A 7 -7.639 -3.262 -2.226 1.00 0.00 C ATOM 111 O LEU A 7 -8.770 -3.232 -2.664 1.00 0.00 O ATOM 112 CB LEU A 7 -8.008 -2.870 0.216 1.00 0.00 C ATOM 113 CG LEU A 7 -7.393 -2.235 1.464 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.430 -1.342 2.149 1.00 0.00 C ATOM 115 CD2 LEU A 7 -6.949 -3.335 2.431 1.00 0.00 C ATOM 0 H LEU A 7 -8.586 -0.747 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.176 -2.479 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.061 -2.599 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.963 -3.957 0.288 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.531 -1.634 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.990 -0.890 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.745 -0.557 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.294 -1.942 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.511 -2.882 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.811 -3.937 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.209 -3.970 1.945 1.00 0.00 H new ATOM 127 N GLY A 8 -6.704 -4.037 -2.738 1.00 0.00 N ATOM 128 CA GLY A 8 -6.961 -4.949 -3.909 1.00 0.00 C ATOM 129 C GLY A 8 -8.402 -4.850 -4.431 1.00 0.00 C ATOM 130 O GLY A 8 -8.716 -4.026 -5.267 1.00 0.00 O ATOM 0 H GLY A 8 -5.748 -4.076 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.269 -4.703 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.755 -5.978 -3.615 1.00 0.00 H new ATOM 134 N THR A 9 -9.277 -5.703 -3.956 1.00 0.00 N ATOM 135 CA THR A 9 -10.693 -5.679 -4.437 1.00 0.00 C ATOM 136 C THR A 9 -11.536 -4.741 -3.569 1.00 0.00 C ATOM 137 O THR A 9 -12.499 -4.160 -4.027 1.00 0.00 O ATOM 138 CB THR A 9 -11.279 -7.092 -4.359 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.230 -8.026 -4.147 1.00 0.00 O ATOM 140 CG2 THR A 9 -12.002 -7.421 -5.666 1.00 0.00 C ATOM 0 H THR A 9 -9.071 -6.415 -3.255 1.00 0.00 H new ATOM 0 HA THR A 9 -10.708 -5.322 -5.467 1.00 0.00 H new ATOM 0 HB THR A 9 -11.988 -7.147 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.603 -8.931 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.418 -8.427 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.807 -6.704 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.297 -7.367 -6.495 1.00 0.00 H new ATOM 148 N LYS A 10 -11.187 -4.593 -2.322 1.00 0.00 N ATOM 149 CA LYS A 10 -11.974 -3.695 -1.428 1.00 0.00 C ATOM 150 C LYS A 10 -12.176 -2.342 -2.124 1.00 0.00 C ATOM 151 O LYS A 10 -11.702 -2.146 -3.226 1.00 0.00 O ATOM 152 CB LYS A 10 -11.205 -3.511 -0.118 1.00 0.00 C ATOM 153 CG LYS A 10 -12.004 -4.136 1.029 1.00 0.00 C ATOM 154 CD LYS A 10 -11.192 -4.070 2.323 1.00 0.00 C ATOM 155 CE LYS A 10 -11.654 -5.179 3.271 1.00 0.00 C ATOM 156 NZ LYS A 10 -13.143 -5.253 3.261 1.00 0.00 N ATOM 0 H LYS A 10 -10.391 -5.054 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.951 -4.129 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.223 -3.979 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.039 -2.451 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.950 -3.609 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.246 -5.172 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.130 -4.182 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.319 -3.096 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.230 -6.135 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.296 -4.981 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.475 -5.680 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.538 -4.295 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.456 -5.835 2.458 1.00 0.00 H new ATOM 170 N PRO A 11 -12.876 -1.445 -1.473 1.00 0.00 N ATOM 171 CA PRO A 11 -13.145 -0.112 -2.037 1.00 0.00 C ATOM 172 C PRO A 11 -11.867 0.734 -2.007 1.00 0.00 C ATOM 173 O PRO A 11 -11.260 0.893 -0.967 1.00 0.00 O ATOM 174 CB PRO A 11 -14.234 0.457 -1.123 1.00 0.00 C ATOM 175 CG PRO A 11 -14.141 -0.326 0.205 1.00 0.00 C ATOM 176 CD PRO A 11 -13.443 -1.660 -0.123 1.00 0.00 C ATOM 0 HA PRO A 11 -13.463 -0.131 -3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.083 1.524 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.219 0.341 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.575 0.236 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.132 -0.499 0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.665 -1.893 0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.147 -2.492 -0.114 1.00 0.00 H new ATOM 184 N PRO A 12 -11.478 1.225 -3.159 1.00 0.00 N ATOM 185 CA PRO A 12 -10.252 2.028 -3.301 1.00 0.00 C ATOM 186 C PRO A 12 -10.453 3.462 -2.801 1.00 0.00 C ATOM 187 O PRO A 12 -11.298 4.190 -3.283 1.00 0.00 O ATOM 188 CB PRO A 12 -9.985 2.013 -4.809 1.00 0.00 C ATOM 189 CG PRO A 12 -11.339 1.704 -5.489 1.00 0.00 C ATOM 190 CD PRO A 12 -12.222 1.031 -4.422 1.00 0.00 C ATOM 0 HA PRO A 12 -9.425 1.629 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.593 2.973 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.241 1.258 -5.064 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.805 2.618 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.201 1.048 -6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.210 1.489 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.371 -0.027 -4.638 1.00 0.00 H new ATOM 198 N THR A 13 -9.660 3.875 -1.849 1.00 0.00 N ATOM 199 CA THR A 13 -9.771 5.265 -1.320 1.00 0.00 C ATOM 200 C THR A 13 -8.367 5.790 -1.034 1.00 0.00 C ATOM 201 O THR A 13 -7.468 5.032 -0.729 1.00 0.00 O ATOM 202 CB THR A 13 -10.588 5.279 -0.024 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.062 6.265 0.852 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.519 3.909 0.654 1.00 0.00 C ATOM 0 H THR A 13 -8.935 3.305 -1.412 1.00 0.00 H new ATOM 0 HA THR A 13 -10.272 5.893 -2.057 1.00 0.00 H new ATOM 0 HB THR A 13 -11.627 5.509 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.584 6.277 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.103 3.929 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.924 3.151 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.481 3.670 0.887 1.00 0.00 H new ATOM 212 N THR A 14 -8.158 7.073 -1.128 1.00 0.00 N ATOM 213 CA THR A 14 -6.798 7.599 -0.856 1.00 0.00 C ATOM 214 C THR A 14 -6.619 7.840 0.636 1.00 0.00 C ATOM 215 O THR A 14 -7.506 7.600 1.430 1.00 0.00 O ATOM 216 CB THR A 14 -6.563 8.909 -1.609 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.593 9.833 -1.290 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.557 8.640 -3.110 1.00 0.00 C ATOM 0 H THR A 14 -8.860 7.769 -1.378 1.00 0.00 H new ATOM 0 HA THR A 14 -6.074 6.859 -1.197 1.00 0.00 H new ATOM 0 HB THR A 14 -5.601 9.329 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.440 10.673 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.389 9.574 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.761 7.936 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.517 8.218 -3.408 1.00 0.00 H new ATOM 226 N GLU A 15 -5.468 8.307 1.020 1.00 0.00 N ATOM 227 CA GLU A 15 -5.213 8.563 2.464 1.00 0.00 C ATOM 228 C GLU A 15 -4.144 9.642 2.621 1.00 0.00 C ATOM 229 O GLU A 15 -3.663 10.207 1.658 1.00 0.00 O ATOM 230 CB GLU A 15 -4.719 7.277 3.126 1.00 0.00 C ATOM 231 CG GLU A 15 -5.610 6.939 4.324 1.00 0.00 C ATOM 232 CD GLU A 15 -7.076 6.944 3.889 1.00 0.00 C ATOM 233 OE1 GLU A 15 -7.535 5.920 3.409 1.00 0.00 O ATOM 234 OE2 GLU A 15 -7.714 7.972 4.043 1.00 0.00 O ATOM 0 H GLU A 15 -4.690 8.523 0.397 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.138 8.896 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.733 6.458 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.686 7.398 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.342 5.961 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.454 7.665 5.122 1.00 0.00 H new ATOM 241 N THR A 16 -3.757 9.912 3.834 1.00 0.00 N ATOM 242 CA THR A 16 -2.705 10.934 4.080 1.00 0.00 C ATOM 243 C THR A 16 -1.892 10.506 5.301 1.00 0.00 C ATOM 244 O THR A 16 -2.439 10.198 6.342 1.00 0.00 O ATOM 245 CB THR A 16 -3.354 12.294 4.347 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.766 12.144 4.393 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.977 13.262 3.227 1.00 0.00 C ATOM 0 H THR A 16 -4.127 9.465 4.673 1.00 0.00 H new ATOM 0 HA THR A 16 -2.058 11.019 3.207 1.00 0.00 H new ATOM 0 HB THR A 16 -3.002 12.687 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.182 13.014 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.438 14.232 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.893 13.375 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.330 12.870 2.273 1.00 0.00 H new ATOM 255 N CYS A 17 -0.594 10.465 5.186 1.00 0.00 N ATOM 256 CA CYS A 17 0.231 10.033 6.349 1.00 0.00 C ATOM 257 C CYS A 17 1.397 11.001 6.562 1.00 0.00 C ATOM 258 O CYS A 17 1.472 12.054 5.963 1.00 0.00 O ATOM 259 CB CYS A 17 0.765 8.608 6.090 1.00 0.00 C ATOM 260 SG CYS A 17 2.417 8.655 5.323 1.00 0.00 S ATOM 0 H CYS A 17 -0.072 10.710 4.345 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.385 10.034 7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.813 8.058 7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.074 8.070 5.441 1.00 0.00 H new ATOM 265 N GLN A 18 2.324 10.616 7.396 1.00 0.00 N ATOM 266 CA GLN A 18 3.514 11.471 7.641 1.00 0.00 C ATOM 267 C GLN A 18 4.629 11.009 6.725 1.00 0.00 C ATOM 268 O GLN A 18 5.384 11.793 6.185 1.00 0.00 O ATOM 269 CB GLN A 18 3.996 11.306 9.070 1.00 0.00 C ATOM 270 CG GLN A 18 5.251 12.159 9.257 1.00 0.00 C ATOM 271 CD GLN A 18 4.944 13.607 8.865 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.934 13.942 7.600 1.00 0.00 O flip ATOM 273 NE2 GLN A 18 4.713 14.443 9.716 1.00 0.00 N flip ATOM 0 H GLN A 18 2.306 9.741 7.920 1.00 0.00 H new ATOM 0 HA GLN A 18 3.248 12.512 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.220 11.615 9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.215 10.259 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.584 12.114 10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.064 11.769 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.721 14.183 10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.511 15.405 9.444 1.00 0.00 H new ATOM 282 N GLU A 19 4.743 9.728 6.563 1.00 0.00 N ATOM 283 CA GLU A 19 5.816 9.191 5.697 1.00 0.00 C ATOM 284 C GLU A 19 5.565 9.636 4.267 1.00 0.00 C ATOM 285 O GLU A 19 4.472 9.528 3.747 1.00 0.00 O ATOM 286 CB GLU A 19 5.825 7.664 5.743 1.00 0.00 C ATOM 287 CG GLU A 19 5.373 7.178 7.122 1.00 0.00 C ATOM 288 CD GLU A 19 3.909 6.741 7.057 1.00 0.00 C ATOM 289 OE1 GLU A 19 3.508 6.238 6.020 1.00 0.00 O ATOM 290 OE2 GLU A 19 3.214 6.914 8.044 1.00 0.00 O ATOM 0 H GLU A 19 4.138 9.028 6.994 1.00 0.00 H new ATOM 0 HA GLU A 19 6.777 9.564 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.164 7.265 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.826 7.292 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.997 6.346 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.493 7.974 7.857 1.00 0.00 H new ATOM 297 N ASP A 20 6.579 10.115 3.620 1.00 0.00 N ATOM 298 CA ASP A 20 6.412 10.546 2.207 1.00 0.00 C ATOM 299 C ASP A 20 6.518 9.305 1.333 1.00 0.00 C ATOM 300 O ASP A 20 6.479 9.377 0.120 1.00 0.00 O ATOM 301 CB ASP A 20 7.491 11.559 1.788 1.00 0.00 C ATOM 302 CG ASP A 20 8.363 11.954 2.983 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.889 11.062 3.630 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.492 13.143 3.230 1.00 0.00 O ATOM 0 H ASP A 20 7.517 10.229 4.004 1.00 0.00 H new ATOM 0 HA ASP A 20 5.445 11.035 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.114 11.129 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.018 12.447 1.368 1.00 0.00 H new ATOM 309 N SER A 21 6.651 8.158 1.946 1.00 0.00 N ATOM 310 CA SER A 21 6.757 6.915 1.161 1.00 0.00 C ATOM 311 C SER A 21 5.348 6.439 0.799 1.00 0.00 C ATOM 312 O SER A 21 4.366 6.941 1.307 1.00 0.00 O ATOM 313 CB SER A 21 7.467 5.845 1.992 1.00 0.00 C ATOM 314 OG SER A 21 7.745 6.366 3.286 1.00 0.00 O ATOM 0 H SER A 21 6.690 8.039 2.958 1.00 0.00 H new ATOM 0 HA SER A 21 7.329 7.096 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.842 4.955 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.392 5.542 1.502 1.00 0.00 H new ATOM 0 HG SER A 21 8.096 5.652 3.858 1.00 0.00 H new ATOM 320 N CYS A 22 5.236 5.467 -0.056 1.00 0.00 N ATOM 321 CA CYS A 22 3.906 4.943 -0.455 1.00 0.00 C ATOM 322 C CYS A 22 4.006 3.428 -0.392 1.00 0.00 C ATOM 323 O CYS A 22 4.906 2.863 -0.969 1.00 0.00 O ATOM 324 CB CYS A 22 3.633 5.365 -1.897 1.00 0.00 C ATOM 325 SG CYS A 22 2.645 6.872 -1.919 1.00 0.00 S ATOM 0 H CYS A 22 6.027 5.004 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 22 3.110 5.317 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.574 5.529 -2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.109 4.568 -2.425 1.00 0.00 H new ATOM 330 N TYR A 23 3.135 2.740 0.290 1.00 0.00 N ATOM 331 CA TYR A 23 3.312 1.266 0.325 1.00 0.00 C ATOM 332 C TYR A 23 2.228 0.550 -0.455 1.00 0.00 C ATOM 333 O TYR A 23 1.051 0.827 -0.352 1.00 0.00 O ATOM 334 CB TYR A 23 3.388 0.731 1.768 1.00 0.00 C ATOM 335 CG TYR A 23 2.023 0.636 2.415 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.084 -0.278 1.935 1.00 0.00 C ATOM 337 CD2 TYR A 23 1.716 1.432 3.524 1.00 0.00 C ATOM 338 CE1 TYR A 23 -0.159 -0.403 2.554 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.465 1.313 4.143 1.00 0.00 C ATOM 340 CZ TYR A 23 -0.473 0.393 3.659 1.00 0.00 C ATOM 341 OH TYR A 23 -1.703 0.272 4.273 1.00 0.00 O ATOM 0 H TYR A 23 2.339 3.116 0.805 1.00 0.00 H new ATOM 0 HA TYR A 23 4.266 1.056 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.856 -0.253 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.026 1.385 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.322 -0.892 1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.442 2.137 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.879 -1.115 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.224 1.932 4.995 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.756 0.898 5.025 1.00 0.00 H new ATOM 351 N LYS A 24 2.656 -0.398 -1.222 1.00 0.00 N ATOM 352 CA LYS A 24 1.724 -1.226 -2.026 1.00 0.00 C ATOM 353 C LYS A 24 2.233 -2.658 -1.958 1.00 0.00 C ATOM 354 O LYS A 24 3.198 -3.015 -2.602 1.00 0.00 O ATOM 355 CB LYS A 24 1.715 -0.755 -3.470 1.00 0.00 C ATOM 356 CG LYS A 24 0.300 -0.344 -3.847 1.00 0.00 C ATOM 357 CD LYS A 24 0.117 -0.511 -5.354 1.00 0.00 C ATOM 358 CE LYS A 24 0.938 0.550 -6.090 1.00 0.00 C ATOM 359 NZ LYS A 24 2.026 -0.113 -6.866 1.00 0.00 N ATOM 0 H LYS A 24 3.640 -0.643 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 24 0.708 -1.148 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.398 0.085 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.064 -1.551 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.425 -0.955 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.120 0.692 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.433 -1.508 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.937 -0.416 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.296 1.122 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.364 1.256 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.584 0.608 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.644 -0.640 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.609 -0.769 -7.557 1.00 0.00 H new ATOM 373 N ASN A 25 1.623 -3.473 -1.152 1.00 0.00 N ATOM 374 CA ASN A 25 2.123 -4.869 -1.020 1.00 0.00 C ATOM 375 C ASN A 25 1.030 -5.878 -1.373 1.00 0.00 C ATOM 376 O ASN A 25 -0.114 -5.530 -1.587 1.00 0.00 O ATOM 377 CB ASN A 25 2.598 -5.095 0.417 1.00 0.00 C ATOM 378 CG ASN A 25 1.712 -4.319 1.387 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.723 -3.018 1.353 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.001 -4.903 2.181 1.00 0.00 N flip ATOM 0 H ASN A 25 0.809 -3.240 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 25 2.951 -5.015 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.569 -6.158 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.634 -4.773 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.994 -5.923 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.411 -4.373 2.823 1.00 0.00 H new ATOM 387 N ILE A 26 1.389 -7.133 -1.440 1.00 0.00 N ATOM 388 CA ILE A 26 0.395 -8.189 -1.786 1.00 0.00 C ATOM 389 C ILE A 26 0.245 -9.161 -0.613 1.00 0.00 C ATOM 390 O ILE A 26 -0.497 -10.122 -0.681 1.00 0.00 O ATOM 391 CB ILE A 26 0.873 -8.951 -3.031 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.977 -9.955 -2.658 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.416 -7.957 -4.059 1.00 0.00 C ATOM 394 CD1 ILE A 26 3.269 -9.216 -2.292 1.00 0.00 C ATOM 0 H ILE A 26 2.335 -7.473 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.570 -7.725 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 26 0.029 -9.497 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.651 -10.569 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.161 -10.630 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.756 -8.497 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.628 -7.258 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.252 -7.407 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.041 -9.940 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.602 -8.622 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.084 -8.560 -1.442 1.00 0.00 H new ATOM 406 N TRP A 27 0.947 -8.926 0.459 1.00 0.00 N ATOM 407 CA TRP A 27 0.852 -9.840 1.630 1.00 0.00 C ATOM 408 C TRP A 27 -0.335 -9.440 2.503 1.00 0.00 C ATOM 409 O TRP A 27 -0.208 -8.658 3.424 1.00 0.00 O ATOM 410 CB TRP A 27 2.138 -9.734 2.439 1.00 0.00 C ATOM 411 CG TRP A 27 3.295 -10.026 1.540 1.00 0.00 C ATOM 412 CD1 TRP A 27 4.119 -9.097 1.002 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.764 -11.317 1.056 1.00 0.00 C ATOM 414 NE1 TRP A 27 5.062 -9.737 0.217 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.886 -11.107 0.221 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.327 -12.639 1.259 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.552 -12.170 -0.392 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.995 -13.711 0.646 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.105 -13.476 -0.178 1.00 0.00 C ATOM 0 H TRP A 27 1.584 -8.138 0.575 1.00 0.00 H new ATOM 0 HA TRP A 27 0.710 -10.865 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.234 -8.736 2.867 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.120 -10.437 3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.052 -8.031 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.797 -9.256 -0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.472 -12.830 1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.406 -11.984 -1.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.652 -14.722 0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.614 -14.305 -0.647 1.00 0.00 H new ATOM 430 N THR A 28 -1.492 -9.968 2.219 1.00 0.00 N ATOM 431 CA THR A 28 -2.687 -9.617 3.030 1.00 0.00 C ATOM 432 C THR A 28 -3.743 -10.721 2.866 1.00 0.00 C ATOM 433 O THR A 28 -4.075 -11.116 1.766 1.00 0.00 O ATOM 434 CB THR A 28 -3.207 -8.243 2.560 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.945 -7.279 3.569 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.716 -8.274 2.279 1.00 0.00 C ATOM 0 H THR A 28 -1.661 -10.628 1.460 1.00 0.00 H new ATOM 0 HA THR A 28 -2.443 -9.546 4.090 1.00 0.00 H new ATOM 0 HB THR A 28 -2.694 -7.985 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.028 -7.390 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.045 -7.288 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.926 -9.006 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.250 -8.550 3.188 1.00 0.00 H new ATOM 444 N PHE A 29 -4.259 -11.225 3.952 1.00 0.00 N ATOM 445 CA PHE A 29 -5.280 -12.308 3.861 1.00 0.00 C ATOM 446 C PHE A 29 -6.635 -11.721 3.455 1.00 0.00 C ATOM 447 O PHE A 29 -7.210 -12.102 2.456 1.00 0.00 O ATOM 448 CB PHE A 29 -5.408 -12.998 5.220 1.00 0.00 C ATOM 449 CG PHE A 29 -6.229 -14.256 5.071 1.00 0.00 C ATOM 450 CD1 PHE A 29 -7.625 -14.179 5.044 1.00 0.00 C ATOM 451 CD2 PHE A 29 -5.593 -15.498 4.958 1.00 0.00 C ATOM 452 CE1 PHE A 29 -8.389 -15.345 4.905 1.00 0.00 C ATOM 453 CE2 PHE A 29 -6.355 -16.664 4.820 1.00 0.00 C ATOM 454 CZ PHE A 29 -7.753 -16.587 4.793 1.00 0.00 C ATOM 0 H PHE A 29 -4.018 -10.934 4.900 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.968 -13.032 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.420 -13.240 5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.879 -12.326 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.114 -13.220 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.515 -15.556 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.467 -15.286 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.865 -17.623 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.341 -17.487 4.686 1.00 0.00 H new ATOM 464 N ASP A 30 -7.153 -10.802 4.225 1.00 0.00 N ATOM 465 CA ASP A 30 -8.473 -10.201 3.880 1.00 0.00 C ATOM 466 C ASP A 30 -8.527 -9.903 2.381 1.00 0.00 C ATOM 467 O ASP A 30 -9.343 -10.445 1.660 1.00 0.00 O ATOM 468 CB ASP A 30 -8.666 -8.902 4.664 1.00 0.00 C ATOM 469 CG ASP A 30 -8.717 -9.213 6.161 1.00 0.00 C ATOM 470 OD1 ASP A 30 -7.722 -9.690 6.681 1.00 0.00 O ATOM 471 OD2 ASP A 30 -9.751 -8.969 6.762 1.00 0.00 O ATOM 0 H ASP A 30 -6.720 -10.442 5.076 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.266 -10.903 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.849 -8.212 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.587 -8.410 4.352 1.00 0.00 H new ATOM 476 N ASN A 31 -7.668 -9.046 1.906 1.00 0.00 N ATOM 477 CA ASN A 31 -7.673 -8.716 0.454 1.00 0.00 C ATOM 478 C ASN A 31 -6.384 -9.236 -0.189 1.00 0.00 C ATOM 479 O ASN A 31 -5.876 -10.277 0.177 1.00 0.00 O ATOM 480 CB ASN A 31 -7.761 -7.198 0.282 1.00 0.00 C ATOM 481 CG ASN A 31 -8.697 -6.619 1.345 1.00 0.00 C ATOM 482 OD1 ASN A 31 -9.820 -6.261 1.052 1.00 0.00 O ATOM 483 ND2 ASN A 31 -8.278 -6.513 2.577 1.00 0.00 N ATOM 0 H ASN A 31 -6.963 -8.560 2.460 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.531 -9.185 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.770 -6.753 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.130 -6.955 -0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.894 -6.129 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.335 -6.814 2.823 1.00 0.00 H new ATOM 490 N ILE A 32 -5.853 -8.524 -1.145 1.00 0.00 N ATOM 491 CA ILE A 32 -4.600 -8.986 -1.804 1.00 0.00 C ATOM 492 C ILE A 32 -3.595 -7.834 -1.858 1.00 0.00 C ATOM 493 O ILE A 32 -2.605 -7.828 -1.154 1.00 0.00 O ATOM 494 CB ILE A 32 -4.918 -9.454 -3.224 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.249 -10.212 -3.222 1.00 0.00 C ATOM 496 CG2 ILE A 32 -3.805 -10.379 -3.716 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.175 -11.369 -2.225 1.00 0.00 C ATOM 0 H ILE A 32 -6.232 -7.645 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.172 -9.811 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.991 -8.591 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.063 -9.538 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.465 -10.592 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.031 -10.713 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.857 -9.841 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.732 -11.244 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.122 -11.909 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.371 -12.047 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.979 -10.977 -1.227 1.00 0.00 H new ATOM 509 N ILE A 33 -3.842 -6.855 -2.686 1.00 0.00 N ATOM 510 CA ILE A 33 -2.896 -5.705 -2.776 1.00 0.00 C ATOM 511 C ILE A 33 -3.299 -4.649 -1.761 1.00 0.00 C ATOM 512 O ILE A 33 -4.457 -4.516 -1.417 1.00 0.00 O ATOM 513 CB ILE A 33 -2.945 -5.070 -4.169 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.526 -6.058 -5.178 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.534 -4.667 -4.598 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.800 -7.399 -5.069 1.00 0.00 C ATOM 0 H ILE A 33 -4.654 -6.801 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.888 -6.072 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.581 -4.186 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.592 -6.195 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.426 -5.661 -6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.570 -4.215 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.129 -3.948 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.896 -5.550 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.219 -8.099 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.739 -7.256 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.923 -7.799 -4.062 1.00 0.00 H new ATOM 528 N ARG A 34 -2.365 -3.881 -1.289 1.00 0.00 N ATOM 529 CA ARG A 34 -2.731 -2.826 -0.314 1.00 0.00 C ATOM 530 C ARG A 34 -1.884 -1.580 -0.518 1.00 0.00 C ATOM 531 O ARG A 34 -0.731 -1.512 -0.141 1.00 0.00 O ATOM 532 CB ARG A 34 -2.545 -3.314 1.109 1.00 0.00 C ATOM 533 CG ARG A 34 -3.241 -2.328 2.044 1.00 0.00 C ATOM 534 CD ARG A 34 -3.362 -2.942 3.431 1.00 0.00 C ATOM 535 NE ARG A 34 -2.012 -3.024 4.057 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.801 -3.840 5.052 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.202 -3.521 6.252 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.190 -4.975 4.849 1.00 0.00 N ATOM 0 H ARG A 34 -1.376 -3.936 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.781 -2.584 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.966 -4.312 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.485 -3.385 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.675 -1.398 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.229 -2.080 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.026 -2.339 4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.804 -3.936 3.363 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.252 -2.441 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.680 -2.634 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.037 -4.159 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.877 -5.225 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.026 -5.612 5.628 1.00 0.00 H new ATOM 552 N ARG A 35 -2.479 -0.592 -1.092 1.00 0.00 N ATOM 553 CA ARG A 35 -1.776 0.697 -1.328 1.00 0.00 C ATOM 554 C ARG A 35 -1.936 1.578 -0.087 1.00 0.00 C ATOM 555 O ARG A 35 -3.030 1.780 0.403 1.00 0.00 O ATOM 556 CB ARG A 35 -2.403 1.396 -2.532 1.00 0.00 C ATOM 557 CG ARG A 35 -2.479 0.425 -3.710 1.00 0.00 C ATOM 558 CD ARG A 35 -3.905 0.392 -4.261 1.00 0.00 C ATOM 559 NE ARG A 35 -3.950 -0.504 -5.450 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.227 -0.229 -6.501 1.00 0.00 C ATOM 561 NH1 ARG A 35 -3.253 0.970 -7.017 1.00 0.00 N ATOM 562 NH2 ARG A 35 -2.473 -1.153 -7.034 1.00 0.00 N ATOM 0 H ARG A 35 -3.445 -0.616 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.718 0.519 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.401 1.753 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.812 2.270 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.784 0.732 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.179 -0.573 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.595 0.036 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.225 1.397 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.546 -1.332 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.839 1.693 -6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.688 1.184 -7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.450 -2.089 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.908 -0.939 -7.856 1.00 0.00 H new ATOM 576 N GLY A 36 -0.857 2.094 0.434 1.00 0.00 N ATOM 577 CA GLY A 36 -0.953 2.951 1.648 1.00 0.00 C ATOM 578 C GLY A 36 0.150 4.007 1.642 1.00 0.00 C ATOM 579 O GLY A 36 0.550 4.507 0.609 1.00 0.00 O ATOM 0 H GLY A 36 0.087 1.959 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.929 3.435 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.871 2.335 2.543 1.00 0.00 H new ATOM 583 N CYS A 37 0.621 4.361 2.801 1.00 0.00 N ATOM 584 CA CYS A 37 1.677 5.402 2.909 1.00 0.00 C ATOM 585 C CYS A 37 2.858 4.867 3.737 1.00 0.00 C ATOM 586 O CYS A 37 2.683 4.400 4.845 1.00 0.00 O ATOM 587 CB CYS A 37 1.059 6.616 3.601 1.00 0.00 C ATOM 588 SG CYS A 37 2.136 8.049 3.422 1.00 0.00 S ATOM 0 H CYS A 37 0.315 3.968 3.691 1.00 0.00 H new ATOM 0 HA CYS A 37 2.050 5.674 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.081 6.831 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.901 6.400 4.658 1.00 0.00 H new ATOM 593 N GLY A 38 4.056 4.912 3.202 1.00 0.00 N ATOM 594 CA GLY A 38 5.234 4.392 3.947 1.00 0.00 C ATOM 595 C GLY A 38 5.656 3.081 3.301 1.00 0.00 C ATOM 596 O GLY A 38 5.380 2.834 2.146 1.00 0.00 O ATOM 0 H GLY A 38 4.263 5.289 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.052 5.112 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.983 4.237 4.996 1.00 0.00 H new ATOM 600 N CYS A 39 6.315 2.238 4.031 1.00 0.00 N ATOM 601 CA CYS A 39 6.732 0.935 3.458 1.00 0.00 C ATOM 602 C CYS A 39 5.993 -0.184 4.182 1.00 0.00 C ATOM 603 O CYS A 39 5.342 0.027 5.186 1.00 0.00 O ATOM 604 CB CYS A 39 8.242 0.746 3.615 1.00 0.00 C ATOM 605 SG CYS A 39 9.104 2.053 2.706 1.00 0.00 S ATOM 0 H CYS A 39 6.585 2.393 5.002 1.00 0.00 H new ATOM 0 HA CYS A 39 6.489 0.912 2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.517 0.778 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.539 -0.232 3.238 1.00 0.00 H new ATOM 610 N PHE A 40 6.089 -1.367 3.669 1.00 0.00 N ATOM 611 CA PHE A 40 5.390 -2.523 4.307 1.00 0.00 C ATOM 612 C PHE A 40 6.015 -2.793 5.671 1.00 0.00 C ATOM 613 O PHE A 40 6.857 -2.054 6.139 1.00 0.00 O ATOM 614 CB PHE A 40 5.508 -3.787 3.434 1.00 0.00 C ATOM 615 CG PHE A 40 6.555 -3.576 2.373 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.201 -2.976 1.161 1.00 0.00 C ATOM 617 CD2 PHE A 40 7.879 -3.944 2.616 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.173 -2.749 0.182 1.00 0.00 C ATOM 619 CE2 PHE A 40 8.857 -3.714 1.641 1.00 0.00 C ATOM 620 CZ PHE A 40 8.505 -3.117 0.422 1.00 0.00 C ATOM 0 H PHE A 40 6.623 -1.594 2.830 1.00 0.00 H new ATOM 0 HA PHE A 40 4.334 -2.275 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.772 -4.645 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.547 -4.012 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.176 -2.688 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.149 -4.405 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.899 -2.291 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.883 -3.996 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.259 -2.941 -0.331 1.00 0.00 H new ATOM 630 N THR A 41 5.587 -3.832 6.322 1.00 0.00 N ATOM 631 CA THR A 41 6.133 -4.138 7.675 1.00 0.00 C ATOM 632 C THR A 41 7.374 -5.054 7.589 1.00 0.00 C ATOM 633 O THR A 41 8.432 -4.674 8.050 1.00 0.00 O ATOM 634 CB THR A 41 5.021 -4.764 8.544 1.00 0.00 C ATOM 635 OG1 THR A 41 4.456 -3.755 9.367 1.00 0.00 O ATOM 636 CG2 THR A 41 5.578 -5.884 9.435 1.00 0.00 C ATOM 0 H THR A 41 4.883 -4.485 5.979 1.00 0.00 H new ATOM 0 HA THR A 41 6.464 -3.211 8.143 1.00 0.00 H new ATOM 0 HB THR A 41 4.265 -5.191 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.747 -4.144 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.772 -6.306 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.012 -6.665 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.346 -5.477 10.093 1.00 0.00 H new ATOM 644 N PRO A 42 7.218 -6.239 7.043 1.00 0.00 N ATOM 645 CA PRO A 42 8.324 -7.204 6.948 1.00 0.00 C ATOM 646 C PRO A 42 9.190 -6.944 5.712 1.00 0.00 C ATOM 647 O PRO A 42 9.449 -7.841 4.934 1.00 0.00 O ATOM 648 CB PRO A 42 7.608 -8.551 6.826 1.00 0.00 C ATOM 649 CG PRO A 42 6.191 -8.246 6.280 1.00 0.00 C ATOM 650 CD PRO A 42 5.952 -6.736 6.474 1.00 0.00 C ATOM 0 HA PRO A 42 9.002 -7.148 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.148 -9.218 6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.552 -9.050 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.117 -8.517 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.439 -8.828 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.720 -6.245 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.113 -6.549 7.145 1.00 0.00 H new ATOM 658 N ARG A 43 9.652 -5.738 5.521 1.00 0.00 N ATOM 659 CA ARG A 43 10.507 -5.470 4.332 1.00 0.00 C ATOM 660 C ARG A 43 11.660 -6.460 4.324 1.00 0.00 C ATOM 661 O ARG A 43 12.218 -6.783 5.354 1.00 0.00 O ATOM 662 CB ARG A 43 11.085 -4.060 4.407 1.00 0.00 C ATOM 663 CG ARG A 43 11.715 -3.834 5.783 1.00 0.00 C ATOM 664 CD ARG A 43 11.835 -2.332 6.045 1.00 0.00 C ATOM 665 NE ARG A 43 13.178 -1.861 5.605 1.00 0.00 N ATOM 666 CZ ARG A 43 13.295 -0.724 4.978 1.00 0.00 C ATOM 667 NH1 ARG A 43 12.453 -0.412 4.030 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.255 0.100 5.297 1.00 0.00 N ATOM 0 H ARG A 43 9.477 -4.937 6.128 1.00 0.00 H new ATOM 0 HA ARG A 43 9.904 -5.569 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.833 -3.921 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.300 -3.325 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.105 -4.302 6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.699 -4.302 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.054 -1.794 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.693 -2.124 7.106 1.00 0.00 H new ATOM 0 HE ARG A 43 14.005 -2.427 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.704 -1.058 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.544 0.478 3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.913 -0.146 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.347 0.990 4.807 1.00 0.00 H new ATOM 682 N GLY A 44 12.031 -6.945 3.179 1.00 0.00 N ATOM 683 CA GLY A 44 13.153 -7.904 3.135 1.00 0.00 C ATOM 684 C GLY A 44 13.275 -8.511 1.736 1.00 0.00 C ATOM 685 O GLY A 44 12.764 -7.978 0.771 1.00 0.00 O ATOM 0 H GLY A 44 11.608 -6.719 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.082 -7.401 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.995 -8.694 3.869 1.00 0.00 H new ATOM 689 N ASP A 45 13.957 -9.618 1.619 1.00 0.00 N ATOM 690 CA ASP A 45 14.123 -10.255 0.283 1.00 0.00 C ATOM 691 C ASP A 45 13.033 -11.307 0.055 1.00 0.00 C ATOM 692 O ASP A 45 12.538 -11.466 -1.042 1.00 0.00 O ATOM 693 CB ASP A 45 15.498 -10.923 0.210 1.00 0.00 C ATOM 694 CG ASP A 45 16.586 -9.874 0.441 1.00 0.00 C ATOM 695 OD1 ASP A 45 16.450 -9.104 1.378 1.00 0.00 O ATOM 696 OD2 ASP A 45 17.537 -9.857 -0.324 1.00 0.00 O ATOM 0 H ASP A 45 14.406 -10.109 2.392 1.00 0.00 H new ATOM 0 HA ASP A 45 14.040 -9.489 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.572 -11.711 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.634 -11.395 -0.763 1.00 0.00 H new ATOM 701 N MET A 46 12.661 -12.035 1.073 1.00 0.00 N ATOM 702 CA MET A 46 11.613 -13.079 0.887 1.00 0.00 C ATOM 703 C MET A 46 10.385 -12.468 0.201 1.00 0.00 C ATOM 704 O MET A 46 9.932 -12.969 -0.810 1.00 0.00 O ATOM 705 CB MET A 46 11.213 -13.666 2.243 1.00 0.00 C ATOM 706 CG MET A 46 11.314 -15.192 2.188 1.00 0.00 C ATOM 707 SD MET A 46 9.805 -15.870 1.454 1.00 0.00 S ATOM 708 CE MET A 46 10.565 -16.547 -0.044 1.00 0.00 C ATOM 0 H MET A 46 13.034 -11.953 2.019 1.00 0.00 H new ATOM 0 HA MET A 46 12.013 -13.876 0.260 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.863 -13.276 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.196 -13.367 2.495 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.182 -15.489 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.456 -15.594 3.191 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.822 -17.114 -0.605 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.941 -15.731 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.390 -17.204 0.232 1.00 0.00 H new ATOM 718 N PRO A 47 9.885 -11.401 0.768 1.00 0.00 N ATOM 719 CA PRO A 47 8.710 -10.697 0.233 1.00 0.00 C ATOM 720 C PRO A 47 9.141 -9.747 -0.889 1.00 0.00 C ATOM 721 O PRO A 47 10.316 -9.513 -1.094 1.00 0.00 O ATOM 722 CB PRO A 47 8.189 -9.912 1.441 1.00 0.00 C ATOM 723 CG PRO A 47 9.388 -9.751 2.408 1.00 0.00 C ATOM 724 CD PRO A 47 10.437 -10.801 1.995 1.00 0.00 C ATOM 0 HA PRO A 47 7.958 -11.361 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.803 -8.939 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.369 -10.442 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.803 -8.745 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.075 -9.903 3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.409 -10.342 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.580 -11.549 2.775 1.00 0.00 H new ATOM 732 N GLY A 48 8.209 -9.190 -1.611 1.00 0.00 N ATOM 733 CA GLY A 48 8.585 -8.257 -2.702 1.00 0.00 C ATOM 734 C GLY A 48 7.452 -7.260 -2.968 1.00 0.00 C ATOM 735 O GLY A 48 7.015 -7.114 -4.092 1.00 0.00 O ATOM 0 H GLY A 48 7.207 -9.342 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.494 -7.720 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.804 -8.819 -3.610 1.00 0.00 H new ATOM 739 N PRO A 49 7.016 -6.587 -1.930 1.00 0.00 N ATOM 740 CA PRO A 49 5.945 -5.583 -2.036 1.00 0.00 C ATOM 741 C PRO A 49 6.503 -4.283 -2.631 1.00 0.00 C ATOM 742 O PRO A 49 7.594 -4.266 -3.164 1.00 0.00 O ATOM 743 CB PRO A 49 5.484 -5.398 -0.595 1.00 0.00 C ATOM 744 CG PRO A 49 6.652 -5.861 0.306 1.00 0.00 C ATOM 745 CD PRO A 49 7.545 -6.764 -0.562 1.00 0.00 C ATOM 0 HA PRO A 49 5.125 -5.880 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.234 -4.355 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.586 -5.984 -0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.214 -5.006 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.280 -6.404 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.592 -6.468 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.488 -7.805 -0.244 1.00 0.00 H new ATOM 753 N TYR A 50 5.763 -3.201 -2.591 1.00 0.00 N ATOM 754 CA TYR A 50 6.289 -1.948 -3.214 1.00 0.00 C ATOM 755 C TYR A 50 6.163 -0.712 -2.303 1.00 0.00 C ATOM 756 O TYR A 50 5.081 -0.290 -1.948 1.00 0.00 O ATOM 757 CB TYR A 50 5.511 -1.682 -4.504 1.00 0.00 C ATOM 758 CG TYR A 50 6.435 -1.807 -5.691 1.00 0.00 C ATOM 759 CD1 TYR A 50 7.326 -0.771 -5.995 1.00 0.00 C ATOM 760 CD2 TYR A 50 6.399 -2.957 -6.488 1.00 0.00 C ATOM 761 CE1 TYR A 50 8.180 -0.885 -7.098 1.00 0.00 C ATOM 762 CE2 TYR A 50 7.255 -3.072 -7.590 1.00 0.00 C ATOM 763 CZ TYR A 50 8.146 -2.036 -7.895 1.00 0.00 C ATOM 764 OH TYR A 50 8.989 -2.148 -8.982 1.00 0.00 O ATOM 0 H TYR A 50 4.839 -3.131 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 50 7.352 -2.104 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.688 -2.390 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.072 -0.685 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.354 0.116 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.711 -3.756 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.866 -0.085 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.228 -3.960 -8.205 1.00 0.00 H new ATOM 0 HH TYR A 50 8.838 -3.008 -9.426 1.00 0.00 H new ATOM 774 N CYS A 51 7.276 -0.086 -2.007 1.00 0.00 N ATOM 775 CA CYS A 51 7.270 1.184 -1.213 1.00 0.00 C ATOM 776 C CYS A 51 7.727 2.269 -2.186 1.00 0.00 C ATOM 777 O CYS A 51 8.608 2.052 -2.993 1.00 0.00 O ATOM 778 CB CYS A 51 8.257 1.115 -0.047 1.00 0.00 C ATOM 779 SG CYS A 51 7.897 2.443 1.131 1.00 0.00 S ATOM 0 H CYS A 51 8.203 -0.406 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 51 6.283 1.374 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.184 0.146 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.278 1.209 -0.416 1.00 0.00 H new ATOM 784 N CYS A 52 7.138 3.415 -2.141 1.00 0.00 N ATOM 785 CA CYS A 52 7.541 4.494 -3.093 1.00 0.00 C ATOM 786 C CYS A 52 7.682 5.791 -2.329 1.00 0.00 C ATOM 787 O CYS A 52 7.228 5.906 -1.223 1.00 0.00 O ATOM 788 CB CYS A 52 6.460 4.649 -4.169 1.00 0.00 C ATOM 789 SG CYS A 52 6.753 6.118 -5.185 1.00 0.00 S ATOM 0 H CYS A 52 6.393 3.664 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 52 8.489 4.239 -3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.445 3.762 -4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.480 4.720 -3.696 1.00 0.00 H new ATOM 794 N GLU A 53 8.307 6.767 -2.901 1.00 0.00 N ATOM 795 CA GLU A 53 8.462 8.060 -2.181 1.00 0.00 C ATOM 796 C GLU A 53 7.792 9.175 -2.984 1.00 0.00 C ATOM 797 O GLU A 53 8.429 10.111 -3.424 1.00 0.00 O ATOM 798 CB GLU A 53 9.946 8.375 -1.982 1.00 0.00 C ATOM 799 CG GLU A 53 10.698 7.100 -1.583 1.00 0.00 C ATOM 800 CD GLU A 53 11.972 6.970 -2.422 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.860 6.981 -3.637 1.00 0.00 O ATOM 802 OE2 GLU A 53 13.036 6.859 -1.836 1.00 0.00 O ATOM 0 H GLU A 53 8.719 6.733 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 53 7.986 7.986 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.367 8.784 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.066 9.135 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.950 7.131 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.061 6.228 -1.733 1.00 0.00 H new ATOM 809 N SER A 54 6.503 9.079 -3.172 1.00 0.00 N ATOM 810 CA SER A 54 5.776 10.127 -3.938 1.00 0.00 C ATOM 811 C SER A 54 4.294 10.080 -3.558 1.00 0.00 C ATOM 812 O SER A 54 3.773 9.048 -3.174 1.00 0.00 O ATOM 813 CB SER A 54 5.928 9.863 -5.437 1.00 0.00 C ATOM 814 OG SER A 54 7.085 9.066 -5.657 1.00 0.00 O ATOM 0 H SER A 54 5.922 8.316 -2.826 1.00 0.00 H new ATOM 0 HA SER A 54 6.187 11.109 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.043 9.354 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.013 10.806 -5.978 1.00 0.00 H new ATOM 0 HG SER A 54 6.815 8.169 -5.945 1.00 0.00 H new ATOM 820 N ASP A 55 3.605 11.181 -3.659 1.00 0.00 N ATOM 821 CA ASP A 55 2.163 11.172 -3.296 1.00 0.00 C ATOM 822 C ASP A 55 1.395 10.367 -4.337 1.00 0.00 C ATOM 823 O ASP A 55 1.816 10.238 -5.469 1.00 0.00 O ATOM 824 CB ASP A 55 1.617 12.598 -3.259 1.00 0.00 C ATOM 825 CG ASP A 55 2.676 13.546 -2.701 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.696 13.716 -3.351 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.447 14.085 -1.631 1.00 0.00 O ATOM 0 H ASP A 55 3.974 12.078 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 55 2.045 10.723 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.328 12.912 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.720 12.637 -2.641 1.00 0.00 H new ATOM 832 N LYS A 56 0.270 9.824 -3.962 1.00 0.00 N ATOM 833 CA LYS A 56 -0.527 9.021 -4.932 1.00 0.00 C ATOM 834 C LYS A 56 0.411 8.139 -5.762 1.00 0.00 C ATOM 835 O LYS A 56 0.157 7.862 -6.918 1.00 0.00 O ATOM 836 CB LYS A 56 -1.293 9.967 -5.858 1.00 0.00 C ATOM 837 CG LYS A 56 -2.157 10.909 -5.019 1.00 0.00 C ATOM 838 CD LYS A 56 -2.991 11.799 -5.946 1.00 0.00 C ATOM 839 CE LYS A 56 -4.472 11.435 -5.816 1.00 0.00 C ATOM 840 NZ LYS A 56 -4.934 11.713 -4.428 1.00 0.00 N ATOM 0 H LYS A 56 -0.132 9.901 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.231 8.388 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.595 10.541 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.919 9.395 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.811 10.333 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.526 11.524 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.841 12.848 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.665 11.672 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.062 12.011 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.621 10.382 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.961 11.880 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.717 10.898 -3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.447 12.556 -4.063 1.00 0.00 H new ATOM 854 N CYS A 57 1.503 7.706 -5.188 1.00 0.00 N ATOM 855 CA CYS A 57 2.459 6.857 -5.957 1.00 0.00 C ATOM 856 C CYS A 57 1.884 5.453 -6.181 1.00 0.00 C ATOM 857 O CYS A 57 2.204 4.804 -7.155 1.00 0.00 O ATOM 858 CB CYS A 57 3.782 6.746 -5.193 1.00 0.00 C ATOM 859 SG CYS A 57 5.098 6.256 -6.339 1.00 0.00 S ATOM 0 H CYS A 57 1.773 7.903 -4.224 1.00 0.00 H new ATOM 0 HA CYS A 57 2.629 7.325 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.027 7.700 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.691 6.014 -4.391 1.00 0.00 H new ATOM 864 N ASN A 58 1.049 4.960 -5.300 1.00 0.00 N ATOM 865 CA ASN A 58 0.509 3.593 -5.513 1.00 0.00 C ATOM 866 C ASN A 58 -0.729 3.642 -6.413 1.00 0.00 C ATOM 867 O ASN A 58 -1.514 2.716 -6.450 1.00 0.00 O ATOM 868 CB ASN A 58 0.158 2.930 -4.176 1.00 0.00 C ATOM 869 CG ASN A 58 -0.348 3.960 -3.165 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.731 5.055 -3.528 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.358 3.645 -1.893 1.00 0.00 N ATOM 0 H ASN A 58 0.726 5.439 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 58 1.280 2.998 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.604 2.167 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.037 2.425 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.688 4.320 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.036 2.725 -1.593 1.00 0.00 H new ATOM 878 N LEU A 59 -0.904 4.703 -7.154 1.00 0.00 N ATOM 879 CA LEU A 59 -2.083 4.786 -8.060 1.00 0.00 C ATOM 880 C LEU A 59 -1.605 5.052 -9.489 1.00 0.00 C ATOM 881 O LEU A 59 -1.908 4.247 -10.353 1.00 0.00 O ATOM 882 CB LEU A 59 -3.006 5.921 -7.613 1.00 0.00 C ATOM 883 CG LEU A 59 -4.396 5.712 -8.221 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.306 5.785 -9.747 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.928 4.338 -7.810 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.941 6.055 -9.693 1.00 0.00 O ATOM 0 H LEU A 59 -0.284 5.512 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.631 3.845 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.072 5.945 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.599 6.882 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.069 6.489 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.296 5.636 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.925 6.763 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.632 5.008 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.917 4.187 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.252 3.563 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.994 4.284 -6.723 1.00 0.00 H new